CID 1128770

311327-86-3

Structural Information

Molecular Formula
C19H16N2O4S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C19H16N2O4S/c1-23-14-8-11(9-15(24-2)17(14)25-3)10-16-18(22)21-13-7-5-4-6-12(13)20-19(21)26-16/h4-10H,1-3H3/b16-10-
InChIKey
JYBMXHGYNPPNCP-YBEGLDIGSA-N
Compound name
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.08307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09035 185.8
[M+Na]+ 391.07229 200.5
[M-H]- 367.07579 194.7
[M+NH4]+ 386.11689 202.9
[M+K]+ 407.04623 195.2
[M+H-H2O]+ 351.08033 179.2
[M+HCOO]- 413.08127 206.1
[M+CH3COO]- 427.09692 199.0
[M+Na-2H]- 389.05774 186.7
[M]+ 368.08252 198.8
[M]- 368.08362 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.